Drug General Information
Drug ID
D06FHE
Former ID
DNC003633
Drug Name
1-Ethyl-5-(imidazol-1-yl-phenyl-methyl)-1H-indole
Drug Type
Small molecular drug
Indication Discovery agent Investigative [525448]
Structure
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2D MOL

3D MOL

Formula
C20H19N3
Canonical SMILES
CCN1C=CC2=C1C=CC(=C2)C(C3=CC=CC=C3)N4C=CN=C4
InChI
1S/C20H19N3/c1-2-22-12-10-17-14-18(8-9-19(17)22)20(23-13-11-21-15-23)16-6-4-3-5-7-16/h3-15,20H,2H2,1H3
InChIKey
WUILDCCEKAPXPV-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) 17 alpha-hydroxylase-C17, 20-lyase Target Info Inhibitor [525448]
Cytochrome P450 19 Target Info Inhibitor [525448]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Glucocorticoid biosynthesis
Androgen biosynthesisPWY-7305:Superpathway of steroid hormone biosynthesis
Estradiol biosynthesis II
Estradiol biosynthesis I
KEGG Pathway Steroid hormone biosynthesis
Metabolic pathways
Ovarian steroidogenesis
Prolactin signaling pathwayhsa00140:Steroid hormone biosynthesis
NetPath Pathway FSH Signaling Pathway
PANTHER Pathway Androgen/estrogene/progesterone biosynthesis
PathWhiz Pathway Androgen and Estrogen Metabolism
SteroidogenesisPW000045:Androgen and Estrogen Metabolism
Reactome Androgen biosynthesis
Glucocorticoid biosynthesis
Endogenous sterolsR-HSA-211976:Endogenous sterols
WikiPathways Metapathway biotransformation
Steroid Biosynthesis
Oxidation by Cytochrome P450
Metabolism of steroid hormones and vitamin D
Glucocorticoid & Mineralcorticoid Metabolism
Prostate Cancer
Phase 1 - Functionalization of compoundsWP702:Metapathway biotransformation
Tryptophan metabolism
Ovarian Infertility Genes
FSH signaling pathway
Integrated Breast Cancer Pathway
Phase 1 - Functionalization of compounds
References
Ref 525448Bioorg Med Chem Lett. 1999 Feb 8;9(3):333-6.New selective nonsteroidal aromatase inhibitors: synthesis and inhibitory activity of 2,3 or 5-(alpha-azolylbenzyl)-1H-indoles.
Ref 525448Bioorg Med Chem Lett. 1999 Feb 8;9(3):333-6.New selective nonsteroidal aromatase inhibitors: synthesis and inhibitory activity of 2,3 or 5-(alpha-azolylbenzyl)-1H-indoles.

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